Detalhe da pesquisa
1.
Mechanism of AGT-Mediated Repair of dG-dC Cross-Links in the Drug Resistance to Chloroethylnitrosoureas: Molecular Docking, MD Simulation, and ONIOM (QM/MM) Investigation.
J Chem Inf Model
; 64(8): 3411-3429, 2024 Apr 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-38511939
2.
The rat acute oral toxicity of trifluoromethyl compounds (TFMs): a computational toxicology study combining the 2D-QSTR, read-across and consensus modeling methods.
Arch Toxicol
; 2024 Apr 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-38627326
3.
A multi-functional hypoxia/esterase dual stimulus responsive and hyaluronic acid-based nanomicelle for targeting delivery of chloroethylnitrosouea.
J Nanobiotechnology
; 21(1): 291, 2023 Aug 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-37612719
4.
Effects of terbuthylazine on myocardial oxidative stress and ferroptosis via Nrf2/HO-1 signaling pathway in broilers.
Pestic Biochem Physiol
; 197: 105698, 2023 Dec.
Artigo
em Inglês
| MEDLINE | ID: mdl-38072553
5.
Topological cavity laser with valley edge states.
Opt Express
; 30(4): 4965-4977, 2022 Feb 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-35209468
6.
BMP/Smad Pathway Is Involved in Lithium Carbonate-Induced Neural-Tube Defects in Mice and Neural Stem Cells.
Int J Mol Sci
; 23(23)2022 Nov 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-36499158
7.
Identification of Pharmacophoric Fragments of DYRK1A Inhibitors Using Machine Learning Classification Models.
Molecules
; 27(6)2022 Mar 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-35335117
8.
Chemometric QSAR modeling of acute oral toxicity of Polycyclic Aromatic Hydrocarbons (PAHs) to rat using simple 2D descriptors and interspecies toxicity modeling with mouse.
Ecotoxicol Environ Saf
; 222: 112525, 2021 Oct 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-34274838
9.
Quantitative Structure-Activity Relationship (QSAR) Studies on the Toxic Effects of Nitroaromatic Compounds (NACs): A Systematic Review.
Int J Mol Sci
; 22(16)2021 Aug 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-34445263
10.
Synergistic Effect between Human Papillomavirus 18 and 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone on Malignant Transformation of Immortalized SHEE Cells.
Chem Res Toxicol
; 33(2): 470-481, 2020 02 17.
Artigo
em Inglês
| MEDLINE | ID: mdl-31874558
11.
Identification and Biological Evaluation of CK2 Allosteric Fragments through Structure-Based Virtual Screening.
Molecules
; 25(1)2020 Jan 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-31935979
12.
Structure-based identification of novel CK2 inhibitors with a linear 2-propenone scaffold as anti-cancer agents.
Biochem Biophys Res Commun
; 512(2): 208-212, 2019 04 30.
Artigo
em Inglês
| MEDLINE | ID: mdl-30878184
13.
Mass Spectrometric Quantitation of Pyridyloxobutyl DNA Phosphate Adducts in Rats Chronically Treated with N'-Nitrosonornicotine.
Chem Res Toxicol
; 32(4): 773-783, 2019 04 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-30740971
14.
Prediction on the mutagenicity of nitroaromatic compounds using quantum chemistry descriptors based QSAR and machine learning derived classification methods.
Ecotoxicol Environ Saf
; 186: 109822, 2019 Dec 30.
Artigo
em Inglês
| MEDLINE | ID: mdl-31634658
15.
Reductive Activity and Mechanism of Hypoxia- Targeted AGT Inhibitors: An Experimental and Theoretical Investigation.
Int J Mol Sci
; 20(24)2019 Dec 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-31847200
16.
QSAR and Classification Study on Prediction of Acute Oral Toxicity of N-Nitroso Compounds.
Int J Mol Sci
; 19(10)2018 Oct 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-30282923
17.
Insights into the Impact of Linker Flexibility and Fragment Ionization on the Design of CK2 Allosteric Inhibitors: Comparative Molecular Dynamics Simulation Studies.
Int J Mol Sci
; 19(1)2018 Jan 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-29301250
18.
In Silico Prediction of O6-Methylguanine-DNA Methyltransferase Inhibitory Potency of Base Analogs with QSAR and Machine Learning Methods.
Molecules
; 23(11)2018 Nov 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-30404161
19.
Exploring the Pivotal Role of the CK2 Hinge Region Sub-Pocket in Binding with Tricyclic Quinolone Analogues by Computational Analysis.
Molecules
; 22(5)2017 May 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-28534839
20.
Synthesis and antitumor activity evaluation of a novel combi-nitrosourea prodrug: Designed to release a DNA cross-linking agent and an inhibitor of O(6)-alkylguanine-DNA alkyltransferase.
Bioorg Med Chem
; 24(9): 2097-107, 2016 May 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-27041398